3-(4-methoxyphenyl)-1,2,5-trimethyl-3H-pyrazole

C13H18N2O — CID 71394330

IUPAC3-(4-methoxyphenyl)-1,2,5-trimethyl-3H-pyrazole
SMILESCOc1ccc(C2C=C(C)N(C)N2C)cc1
InChIInChI=1S/C13H18N2O/c1-10-9-13(15(3)14(10)2)11-5-7-12(16-4)8-6-11/h5-9,13H,1-4H3
InChIKeyQENXZGWGMVMIIN-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.43
Rot. Bonds2

About 3-(4-methoxyphenyl)-1,2,5-trimethyl-3H-pyrazole

3-(4-methoxyphenyl)-1,2,5-trimethyl-3H-pyrazole (PubChem CID 71394330) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1,2,5-trimethyl-3H-pyrazole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1,2,5-trimethyl-3H-pyrazole
PubChem CID71394330
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3-(4-methoxyphenyl)-1,2,5-trimethyl-3H-pyrazole
SMILESCOc1ccc(C2C=C(C)N(C)N2C)cc1
InChIInChI=1S/C13H18N2O/c1-10-9-13(15(3)14(10)2)11-5-7-12(16-4)8-6-11/h5-9,13H,1-4H3
InChIKeyQENXZGWGMVMIIN-UHFFFAOYSA-N
XLogP2.43
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(4-methoxyphenyl)-1,2,5-trimethyl-3H-pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(4-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 3774100
(7S)-7-(4-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 677365
3-(4-methoxyphenyl)-1,2,2-trimethylaziridine
CID 162398178
3-(4-methoxyphenyl)-1-methylazetidine
CID 134399978
1-(113C)methoxy-4-methylbenzene
CID 166176950
5-(4-methoxyphenyl)-7-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 3382403
(4R)-4-(4-methoxyphenyl)-1,2-dimethyl-5,6-dihydro-4H-pyrimidine
CID 97356672
4-(4-methoxyphenyl)-1,2-dimethyl-5,6-dihydro-4H-pyrimidine
CID 117068615
2,6-bis(4-methoxyphenyl)-1-methylpiperidin-4-one
CID 14047057
(2S)-2-(4-methoxyphenyl)-1-methylpyrrolidine
CID 92850085
5-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-methyl-2H-pyridine
CID 163717013
5-(4-methoxyphenyl)-3-methyl-1-oxa-3-azaspiro[5.5]undecane
CID 2817659

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1,2,5-trimethyl-3H-pyrazole?
The IUPAC name of 3-(4-methoxyphenyl)-1,2,5-trimethyl-3H-pyrazole (CID 71394330) is 3-(4-methoxyphenyl)-1,2,5-trimethyl-3H-pyrazole.
What is the SMILES notation for 3-(4-methoxyphenyl)-1,2,5-trimethyl-3H-pyrazole?
The canonical SMILES for 3-(4-methoxyphenyl)-1,2,5-trimethyl-3H-pyrazole is COc1ccc(C2C=C(C)N(C)N2C)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1,2,5-trimethyl-3H-pyrazole?
The InChIKey is QENXZGWGMVMIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-10-9-13(15(3)14(10)2)11-5-7-12(16-4)8-6-11/h5-9,13H,1-4H3.
What are the key properties of 3-(4-methoxyphenyl)-1,2,5-trimethyl-3H-pyrazole?
3-(4-methoxyphenyl)-1,2,5-trimethyl-3H-pyrazole has a molecular weight of 218.30 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1,2,5-trimethyl-3H-pyrazole is sourced from PubChem (CID 71394330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).